chempirical

(4-Methoxy-3-methylphenyl)boronic acid

C8H11BO3CAS 175883-62-2165.98 g/mol

Open in Covalent MOL file
BOHOHO
Boronic acidEther

Properties

Molecular formula
C8H11BO3
Molar mass
165.98 g/mol
Exact mass
166.0801 Da
logP
-0.32Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
175883-62-2
SMILES
B(C1=CC(=C(C=C1)OC)C)(O)O
InChIKey
PXVDQGVAZBTFIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3

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Names and synonyms

1 names
  • 4-Methoxy-3-methylphenylboronic acid

Work with (4-Methoxy-3-methylphenyl)boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dimethoxyphenylboronic acid122775-35-370 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-757 % similar B-(4-Chloro-3-methoxyphenyl)boronic acid89694-47-357 % similar (3-Formyl-4-methoxyphenyl)boronic acid121124-97-857 % similar 2,5-Dimethoxytoluene24599-58-453 % similar 2,4-Dimethylanisole6738-23-453 % similar 4-Bromo-2-methylanisole14804-31-050 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Methoxymethylphenylboronic acid126617-98-9 2-Methoxy-5-methylphenylboronic acid127972-00-3 3-Methoxymethylphenylboronic acid142273-84-5 (4-Methoxy-2-methylphenyl)boronic acid208399-66-0 (2-Ethoxyphenyl)boronic acid213211-69-9

Elsewhere

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